UCSF

ZINC62868913

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 7.29 -43.81 2 3 1 34 272.416 2
Mid Mid (pH 6-8) 3.22 7.9 -94.21 3 3 2 36 273.424 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )